docking - Githubissues

nyy777 commented 2 years ago

Dear Dr. I want to use tutorial 3 for batch docking, but the following questions appear. I hope you can answer this question!Thank you

MolAICal commented 2 years ago

Dear Dr. I want to use tutorial 3 for batch docking, but the following questions appear. I hope you can answer this question!Thank you

Could you compress the folder named "splitdir" and file named "conf.txt" to me? Then I can help you to test your problem. You can send it to me

MolAICal commented 2 years ago

Dear Dr. I want to use tutorial 3 for batch docking, but the following questions appear. I hope you can answer this question!Thank you

Your files can be run rightly in my ubuntu system. I doubt it may be something wrong with your ubuntu system.

1) Is your default language of ubuntu system English or Chinese? If not, it may not recognize some specific characters.

2) Could you run below command and feedback output information to me (please replace below command into your install path of MolAICal):

~/Download/MolAICal-linux64/molaicald --config conf.txt --ligand splitdir/lig_1.pdbqt --out testout.pdbqt

In addition, please paste all the problems in Github issue rather than Email. So I can reply them one by one.

Thanks, Qifeng

nyy777 commented 2 years ago

The result is as follows.

There is no error running the command again!

------------------ 原始邮件 ------------------ 发件人: "MolAICal/molaical.github.io" @.>; 发送时间: 2022年4月14日(星期四) 中午1:43 @.>; @.**@.>; 主题: Re: [MolAICal/molaical.github.io] docking (Issue #7)

Dear Dr. I want to use tutorial 3 for batch docking, but the following questions appear. I hope you can answer this question!Thank you

Can you run below command and feedback output information to me (please input your install path of MolAICal):

~/Download/MolAICal-linux64/molaicald --config conf.txt --ligand splitdir/lig_1.pdbqt --out testout.pdbqt

— Reply to this email directly, view it on GitHub, or unsubscribe. You are receiving this because you authored the thread.Message ID: @.***>

MolAICal commented 2 years ago

The result is as follows. There is no error running the command again! …

I guess something wrong with your ubuntu system. Could you feedback below test information to me?

1) run two commands one by one: cat /proc/version uname -a

2) If you have Windows operating system, could you test tutorial 3 in your Windows operating system?

nyy777 commented 2 years ago

I tried it on windows operation systems and there was no error.Also,i tried it on linux systems again.There was no error.

----------------- 原始邮件 ------------------ 发件人: "MolAICal/molaical.github.io" @.>; 发送时间: 2022年4月18日(星期一) 中午1:16 @.>; @.**@.>; 主题: Re: [MolAICal/molaical.github.io] docking (Issue #7)

The result is as follows. There is no error running the command again! …

I guess something wrong with your ubuntu system. Could you feedback below test information to me?

run two commands one by one: cat /proc/version uname -a

If you have Windows operating system, could you test tutorial 3 in your Windows operating system?

— Reply to this email directly, view it on GitHub, or unsubscribe. You are receiving this because you authored the thread.Message ID: @.***>

MolAICal commented 2 years ago

I tried it on windows operation systems and there was no error.Also,i tried it on linux systems again.There was no error.

It seems your issue is solved. If you still have problem, you can put it on Github issue.

nyy777 commented 2 years ago

Ok! Thank you very much!

------------------ 原始邮件 ------------------ 发件人: "MolAICal/molaical.github.io" @.>; 发送时间: 2022年4月19日(星期二) 中午1:52 @.>; @.**@.>; 主题: Re: [MolAICal/molaical.github.io] docking (Issue #7)

I tried it on windows operation systems and there was no error.Also,i tried it on linux systems again.There was no error. … ----------------- 原始邮件 ------------------ 发件人: "MolAICal/molaical.github.io" @.>; 发送时间: 2022年4月18日(星期一) 中午1:16 @.>; @.@.>; 主题: Re: [MolAICal/molaical.github.io] docking (Issue #7) The result is as follows. There is no error running the command again! … I guess something wrong with your ubuntu system. Could you feedback below test information to me? run two commands one by one: cat /proc/version uname -a If you have Windows operating system, could you test tutorial 3 in your Windows operating system? — Reply to this email directly, view it on GitHub, or unsubscribe. You are receiving this because you authored the thread.Message ID: @.***>

It seems your issue is solved. If you still have problem, you can put it on Github issue.

— Reply to this email directly, view it on GitHub, or unsubscribe. You are receiving this because you authored the thread.Message ID: @.***>

MolAICal / molaical.github.io

docking #7